CompBioMed2 Core Partners

University College London (UCL) leads the overall project and is involved in all WPs but will take a substantial role in Project Management, Dissemination and Innovation (WP1), Research and Applications (WP2); Read more —>	University of Amsterdam (UvA) will lead WP2: Research and Applications, bringing in two applications (in the biomedical domain), and will contribute to multi scale UQ algorithms and UQPs, to exascaling of codes, to training and dissemination activities. Read more —>
University of Edinburgh represented by the supercomputing centre EPCC brings its vast experience in collaborating on large-scale projects to CompBioMed. UEDIN’s major participation is in WP4: Operations and Services. Read more —>	SURF is the National Supercomputing and e-Science Support Center in the Netherlands and will be using their experience in porting and scaling of applications whilst leading WP4 (Operations and Services). Read more —>
Barcelona Supercomputing Centre (BSC) are leading WP5: Incubator Applications with their representative acting as Application Manager in the Executive Board. Read more —>	University of Oxford will play a leading role under WP2 in cardiovascular and molecular-based medicine exemplar research and will play a substantial role in high performance data and for in silico trials. Read more —>
University of Geneva will be working within WP2 (Research and Applications) on simulation and modelling, their implementation on HPC platforms and their coupling with other applications. Read more —>	University of Sheffield are leading WP6 (Engagement, Training and Sustainability) and are working within the Neuro- Musculoskeletal Exemplar as part of WP2 (Research and Applications). Read more —>
CBK Sci Con Ltd will take a major role in WP1 (Project Management, Dissemination and Innovation), leading the dissemination and innovation activities. It will also contribute to engagement and sustainability tasks, as well as those related to commercialisation. Read more —>	Universitat Pompeu Fabra will play a substantial role in WP2 (Research and Applications), particularly in the molecular-based medicine exemplar. In WP5 (Incubator Applications) UPF will provide expertise in high-throughput MD simulations and machine-learning methods for drug discovery. Read more —>
Leibniz Supercomputing Centre (Leibniz-Rechenzentrum, LRZ) will contribute too CompBioMed2 project by leading WP3: Data Management and Analytics. Furthermore, LRZ will contribute too WP1: Project Management, WP4: Operations and Services and WP6: Engagement, Training and Sustainability Read more —>	Acellera will play a substantial role in Research, development of innovative applications and their commercialisation as well as in Data and Analytics. Read more —>
Evotec as a leading industrial application partner will be responsible for three key objectives: adaptation of hierarchical GPCR modelling protocol (HGMP) to HPC platform, developing of new HGMP-HPC based tools/plugins, testing and application of HGMP-HPC integrated technology. Read more —>	Bull (Atos) will be strongly involved in co-design activities on the road to exascale. Indeed, Bull is especially in WP4: Operations and Services, mainly to optimise CompBioMed2 applications Read more —>
Janssen will have a substantial role in WP2: Research and Applications, particularly tasks relating to development of science for molecular-based medicine. Read more —>	University of Bologna will contribute to WP6: Engagement, Training and Sustainability, and the development of computational medicine solutions for neuromusculoskeletal conditions. Read more —>

International Partners

Argonne National Laboratory (ANL) is a multidisciplinary science and engineering research cneter, where talented scientists and engineers work together to answer the biggest questions facing humanity, from how to obtain affordable clean energy to protecting ourselves and our environment. ANL will support CompBioMed2 by directly supporting the application of machine learning techniques to drug design, drug resistance and other challenging biomedical research problems.

Rutgers University is the flagship University of the State of New Jersey, and a member of the Association of American Universities (comprised of the top 62 North American Universities). Rutgers University will strengthen CompBioMed by directly supporting the use and adaptation of RADICAL-Cybertools within the the project.